UCSF

ZINC42748480

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.36 -89.94 4 3 2 35 231.428 8
Hi High (pH 8-9.5) 1.57 2.9 -40.8 3 3 1 34 230.42 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )